SCHEMBL1097634

SCHEMBL1097634

CCC(C)OP(=O)(O)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 1/20 0.36
LAP3 P28838 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
METAP1 P53582 1/20 0.32
SMPD1 P17405 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11245329 0.82 LAP3 (0.34) MMP1MMP2MMP3LAP3CA12
SCHEMBL3001745 0.81 MMP1 (0.35) MMP1MMP2MMP3LAP3CA12
SCHEMBL485995 0.77
SCHEMBL497286 0.77 LAP3 (0.39) MMP1MMP2MMP3LAP3CA12
SCHEMBL16996798 0.77 CTSA (0.42) MMP1MMP2CA12CA1CA2
SCHEMBL4832425 0.76 MMP1 (0.32) MMP1MMP2MMP3
SCHEMBL1764348 0.76 MMP1 (0.30) MMP1MMP2MMP3
SCHEMBL19245350 0.76 TRPM8 (0.35) MMP1MMP2MMP3LAP3CA12
SCHEMBL11340279 0.75 LAP3 (0.35) MMP1MMP2MMP3LAP3METAP1
SCHEMBL2714777 0.75 MMP1 (0.34) MMP1MMP2MMP3LAP3CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-8614332-B2 Substituted pyrazolylamides useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-24 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
EP-2059522-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS Brystol-Myers Squibb Company (US) 2009-05-20 EP disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-3998915-A PROCESS FOR THE PRODUCTION OF 1-ACYLOXY ALKYLENE PHOSPHONIC ACID DIALKYL ESTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK MMP1 709/4885MMP2 545/4885MMP3 1312/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MMP1 2248/4885MMP2 1451/4885MMP3 2985/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MMP1 2198/4885MMP2 1409/4885MMP3 2963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.